[4-[3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-(3-bromo-4-fluoro-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[3-(3-bromo-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(3-bromo-4-fluorophenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[3-(3-bromo-4-fluoro-phenyl)acryloyl]amino]pyrazol-1-yl]methyl ester Formula: C18H19BrFN3O3 MolecularWeight: 424.264163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C=CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C=CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C18H19BrFN3O3/c1-18(2,3)17(25)26-11-23-10-13(9-21-23)22-16(24)7-5-12-4-6-15(20)14(19)8-12/h4-10H,11H2,1-3H3,(H,22,24)